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10,12,14-Nonacosatriynoic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

10,12,14-Nonacosatriynoic acid
SpectraBase Compound ID 5aGyguBizoC
InChI InChI=1S/C29H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-9,16-28H2,1H3,(H,30,31)
InChIKey RGQRKXNGLNVHFP-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID gNGuL51Y4m
Name 10,12,14-Nonacosatriynoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.349780719 u
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-9,16-28H2,1H3,(H,30,31)
InChIKey RGQRKXNGLNVHFP-UHFFFAOYSA-N
Molecular Weight 426.685 g/mol
SMILES CCCCCCCCCC#CC#CC#CCCCCCCCCCCCCCC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879984